SCHEMBL8780960

SCHEMBL8780960

Cn1c(CCCNCCOc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
DRD3 P35462 2/20 0.59
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KCNH2 Q12809 3/20 0.56
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.43
SLC22A2 O15244 1/20 0.43
ADRB1 P08588 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8780799 0.85 KCNH2 (0.52) DRD2DRD4DRD3PKMSMN1; SMN2
SCHEMBL8780906 0.84 DRD2 (0.56) DRD2DRD4DRD3SLC6A4KMT2A
SCHEMBL8780898 0.84 DRD4 (0.44) DRD2DRD4DRD3PKM
SCHEMBL8780927 0.83 KCNH2 (0.58) DRD2DRD4DRD3PKMSMN1; SMN2
SCHEMBL9387817 0.82 PKM (0.56) DRD2DRD4DRD3PKMSMN1; SMN2
SCHEMBL8780851 0.82 KCNH2 (0.55) PKMSMN1; SMN2KCNH2LMNAHRH3
SCHEMBL8780862 0.81 KCNH2 (0.59) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780890 0.80 PKM (0.52) PKMSMN1; SMN2KCNH2ALDH1A1LMNA
SCHEMBL8780907 0.80 PKM (0.52) DRD2DRD4DRD3PKMSMN1; SMN2
SCHEMBL8780872 0.80 KCNH2 (0.63) PKMSMN1; SMN2KCNH2LMNAHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed